4-Heptylaniline

C₁₃H₂₁NCAS 37529-27-4191.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₁N
Molar mass: 191.32 g/mol
Exact mass: 191.1674 Da
logP: 3.78Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

37529-27-4

SMILES

CCCCCCCC1=CC=C(C=C1)N

InChIKey

BNEWZYZRLNNWNR-UHFFFAOYSA-N

InChI

InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Heptylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Dodecylaniline104-42-7100 % similar 4-Octylbenzenamine16245-79-7100 % similar 4-Hexylaniline33228-45-4100 % similar 4-Decylaniline37529-30-9100 % similar 4-Pentylaniline33228-44-396 % similar 4-Butylaniline104-13-283 % similar 4-Propylaniline2696-84-668 % similar Decylbenzene104-72-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(1-Ethylpropyl)-3,4-dimethylbenzenamine56038-89-2 2,6-Di-tert-butylpyridine585-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook